SCHEMBL31228241

SCHEMBL31228241

COC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.39
GHSR Q92847 3/20 0.38
KLK7 P49862 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MAPK1 P28482 1/20 0.36
HCRTR2 O43614 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31228227 1.00 YAP1 (0.39) YAP1GHSRKLK7GPR119PARP1
SCHEMBL31228531 0.92 KLK7 (0.39) YAP1GHSRKLK7GPR119PARP1
SCHEMBL31228285 0.90 KLK7 (0.37) GHSRKLK7GPR119PARP1MEN1
SCHEMBL31153940 0.86 YAP1 (0.39) YAP1GHSRKLK7GPR119PARP1
SCHEMBL31228368 0.86 MAPT (0.40) GHSRKLK7GPR119PARP1MEN1
SCHEMBL31228414 0.82 KMT2A (0.32) KMT2ASMN1; SMN2
SCHEMBL31228393 0.81 KLK7 (0.44) GHSRKLK7PARP1MEN1MAPT
SCHEMBL31228493 0.81 KLK7 (0.46) KLK7GPR119PARP1KMT2AJAK2
SCHEMBL31228337 0.81 KLK7 (0.46) KLK7GPR119PARP1KMT2AJAK2
SCHEMBL31228495 0.81 KLK7 (0.46) KLK7GPR119PARP1KMT2AJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed